MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009665
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009665
RECORD_TITLE: DIETHYL TEREPHTHALATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: THE INSTITUTE OF SCIENTIFIC AND INDUSTRIALRESEARCH
LICENSE: CC BY-NC-SA
CH$NAME: DIETHYL TEREPHTHALATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H14O4
CH$EXACT_MASS: 222.08921
CH$SMILES: CCOC(=O)c(c1)ccc(c1)C(=O)OCC
CH$IUPAC: InChI=1S/C12H14O4/c1-3-15-11(13)9-5-7-10(8-6-9)12(14)16-4-2/h5-8H,3-4H2,1-2H3
CH$LINK: INCHIKEY
ONIHPYYWNBVMID-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8060909
AC$INSTRUMENT: JEOL JMS-DX-300
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-004i-3910000000-b0bdfc9b0e4446b70df7
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
26 1.6 16
27 8.9 89
29 14.5 145
39 0.33 3
43 1 10
45 5.7 57
50 9.7 97
51 0.42 4
52 3 30
53 1.1 11
65 23.1 231
66 0.69 7
74 2.6 26
75 7.6 76
76 17.1 171
77 0.4 4
93 2.7 27
103 10.2 102
104 15.2 152
105 0.4 4
121 13.9 139
122 2.8 28
132 1.9 19
133 0.16 2
149 53.2 532
150 9.5 95
151 1.1 11
166 2.89 29
167 2.7 27
176 1.7 17
177 99.99 999
178 1.26 13
179 1.8 18
193 9.7 97
194 21 210
195 0.25 3
221 1.8 18
222 25 250
223 3.5 35
//
system version 2.2.8-SNAPSHOT